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Title: Molecular-dynamics study of amorphous SiO{sub 2} relaxation

Using Molecular-Dynamics simulation we observed the generation of amorphous SiO{sub 2} target from a randomly distributed Si and O atoms. We applied a sequence of annealing of the target with various temperature and quenching to room temperature. The relaxation time required by the system to form SiO{sub 4} tetrahedral mesh after a relatively long simulation time, is studied. The final amorphous target was analyzed using the radial distribution function method, which can be compared with the available theoretical and experimental data. We found that up to 70% of the target atoms form the tetrahedral SiO{sub 4} molecules. The number of formed tetrahedral increases following the growth function and the rate of SiO{sub 4} formation follows Arrhenius law, depends on the annealing temperature. The local structure of amorphous SiO{sub 2} after this treatment agrees well with those reported in some literatures.
Authors:
 [1] ;  [2]
  1. Department of Physics, Universitas Padjadjaran, Jatinangor, Sumedang 45363 (Indonesia)
  2. Theoretical and Computational Geophysics Laboratory, Department of Physics, Universitas Padjadjaran, Jatinangor, Sumedang 45363 (Indonesia)
Publication Date:
OSTI Identifier:
22488947
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1677; Journal Issue: 1; Conference: 5. international conference on mathematics and natural sciences, Bandung (Indonesia), 2-3 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; AMORPHOUS STATE; ANNEALING; ARRHENIUS EQUATION; ATOMS; COMPARATIVE EVALUATIONS; MOLECULAR DYNAMICS METHOD; MOLECULES; QUENCHING; RANDOMNESS; RELAXATION TIME; SILICA; SILICON OXIDES; SPATIAL DISTRIBUTION; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE 0273-0400 K